2-[[4-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)phenoxy]methyl]pyridine

C25H24N4O — CID 50982493

IUPAC2-[[4-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)phenoxy]methyl]pyridine
SMILESc1ccc(-c2ncn(C3CCNC3)c2-c2ccc(OCc3ccccn3)cc2)cc1
InChIInChI=1S/C25H24N4O/c1-2-6-19(7-3-1)24-25(29(18-28-24)22-13-15-26-16-22)20-9-11-23(12-10-20)30-17-21-8-4-5-14-27-21/h1-12,14,18,22,26H,13,15-17H2
InChIKeyFRTGLEGSPLWRKO-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.73
Rot. Bonds6

About 2-[[4-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)phenoxy]methyl]pyridine

2-[[4-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)phenoxy]methyl]pyridine (PubChem CID 50982493) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[[4-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name2-[[4-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)phenoxy]methyl]pyridine
PubChem CID50982493
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name2-[[4-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)phenoxy]methyl]pyridine
SMILESc1ccc(-c2ncn(C3CCNC3)c2-c2ccc(OCc3ccccn3)cc2)cc1
InChIInChI=1S/C25H24N4O/c1-2-6-19(7-3-1)24-25(29(18-28-24)22-13-15-26-16-22)20-9-11-23(12-10-20)30-17-21-8-4-5-14-27-21/h1-12,14,18,22,26H,13,15-17H2
InChIKeyFRTGLEGSPLWRKO-UHFFFAOYSA-N
XLogP4.73
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-4-phenyl-1-[(3S)-pyrrolidin-3-yl]imidazole
CID 95217578
6-[5-(4-fluorophenyl)-3-pyrrolidin-3-ylimidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine
CID 23433733
5-methyl-1-phenyl-4-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)pyrazole
CID 50948117
5-methyl-1-phenyl-4-[5-phenyl-3-[(3S)-pyrrolidin-3-yl]imidazol-4-yl]pyrazole
CID 95119449
4-[5-(4-fluorophenyl)-3-[(3R)-pyrrolidin-3-yl]imidazol-4-yl]pyrimidine
CID 124565058
(1R,5S)-6-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-3,6-diazabicyclo[3.2.2]nonane;dihydrochloride
CID 154901016
2-[[4-[5-(furan-2-yl)-4-phenylimidazol-1-yl]piperidin-1-yl]methyl]pyridine
CID 50966391
4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenylsulfanylpyridine
CID 15872410
1,3-diethyl-5-[5-(3-methylphenyl)-3-pyrrolidin-3-ylimidazol-4-yl]benzimidazol-2-one
CID 22063831
2-[[(3R,4S)-3-benzylpiperidin-4-yl]oxymethyl]pyridine
CID 125192101
2-[[4-(1,2,4-triazol-4-yl)phenoxy]methyl]pyridine
CID 50959322
5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-methoxypyrimidine
CID 162676290

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)phenoxy]methyl]pyridine?
The IUPAC name of 2-[[4-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)phenoxy]methyl]pyridine (CID 50982493) is 2-[[4-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)phenoxy]methyl]pyridine.
What is the SMILES notation for 2-[[4-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)phenoxy]methyl]pyridine?
The canonical SMILES for 2-[[4-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)phenoxy]methyl]pyridine is c1ccc(-c2ncn(C3CCNC3)c2-c2ccc(OCc3ccccn3)cc2)cc1.
What is the InChIKey of 2-[[4-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)phenoxy]methyl]pyridine?
The InChIKey is FRTGLEGSPLWRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-2-6-19(7-3-1)24-25(29(18-28-24)22-13-15-26-16-22)20-9-11-23(12-10-20)30-17-21-8-4-5-14-27-21/h1-12,14,18,22,26H,13,15-17H2.
What are the key properties of 2-[[4-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)phenoxy]methyl]pyridine?
2-[[4-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)phenoxy]methyl]pyridine has a molecular weight of 396.49 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)phenoxy]methyl]pyridine is sourced from PubChem (CID 50982493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).